|
|
DHf: 13.7 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
1,5-Cyclooctadiene H=13.7 HR=NIST C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.33795198 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.50135732 +1 125.2364457 +1 0.0000000 +0 2 1 0 0.0000 C 1.54357995 +1 112.0145432 +1 73.4153915 +1 3 2 1 0.0000 C 1.50133044 +1 112.0321485 +1 -102.9727169 +1 4 3 2 0.0000 C 1.33784255 +1 125.2735884 +1 73.4290695 +1 5 4 3 0.0000 C 1.50118389 +1 125.2333674 +1 -0.1289332 +1 6 5 4 0.0000 C 1.50123512 +1 125.2505968 +1 -0.0178705 +1 1 2 3 0.0000 H 1.09003728 +1 120.3339305 +1 -179.6270568 +1 1 2 8 0.0000 H 1.09005242 +1 120.3360017 +1 179.6301961 +1 2 1 3 0.0000 H 1.10653328 +1 110.0064265 +1 121.8578099 +1 3 2 4 0.0000 H 1.10979347 +1 109.9467181 +1 115.6827879 +1 3 2 11 0.0000 H 1.10988085 +1 109.8658526 +1 122.4625395 +1 4 3 5 0.0000 H 1.10652727 +1 109.3926203 +1 115.2750887 +1 4 3 13 0.0000 H 1.09013675 +1 114.3601120 +1 -179.7207347 +1 5 4 6 0.0000 H 1.09006029 +1 120.3305450 +1 -179.5708624 +1 6 5 7 0.0000 H 1.10986538 +1 109.9481175 +1 49.2152582 +1 7 6 5 0.0000 H 1.10662455 +1 109.9908775 +1 115.6405642 +1 7 6 17 0.0000 H 1.10657375 +1 109.9990635 +1 164.7153316 +1 8 1 2 0.0000 H 1.10984380 +1 109.9527926 +1 -115.6746820 +1 8 1 19 0.0000